2-[methyl(phenyldiazenyl)amino]acetate

C9H10N3O2- — CID 23569711

IUPAC2-[methyl(phenyldiazenyl)amino]acetate
SMILESCN(CC(=O)[O-])/N=N/c1ccccc1
InChIInChI=1S/C9H11N3O2/c1-12(7-9(13)14)11-10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)/p-1/b11-10+
InChIKeyGYQONHNWPASCRA-ZHACJKMWSA-M
MW192.20 g/mol
LogP0.37
Rot. Bonds4

About 2-[methyl(phenyldiazenyl)amino]acetate

2-[methyl(phenyldiazenyl)amino]acetate (PubChem CID 23569711) has the molecular formula C9H10N3O2- and a molecular weight of 192.20 g/mol. Its IUPAC name is 2-[methyl(phenyldiazenyl)amino]acetate.

Molecular Properties

Compound Name2-[methyl(phenyldiazenyl)amino]acetate
PubChem CID23569711
Molecular FormulaC9H10N3O2-
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name2-[methyl(phenyldiazenyl)amino]acetate
SMILESCN(CC(=O)[O-])/N=N/c1ccccc1
InChIInChI=1S/C9H11N3O2/c1-12(7-9(13)14)11-10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)/p-1/b11-10+
InChIKeyGYQONHNWPASCRA-ZHACJKMWSA-M
XLogP0.37
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[methyl(phenyldiazenyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(phenyldiazenyl)amino]acetate?
The IUPAC name of 2-[methyl(phenyldiazenyl)amino]acetate (CID 23569711) is 2-[methyl(phenyldiazenyl)amino]acetate.
What is the SMILES notation for 2-[methyl(phenyldiazenyl)amino]acetate?
The canonical SMILES for 2-[methyl(phenyldiazenyl)amino]acetate is CN(CC(=O)[O-])/N=N/c1ccccc1.
What is the InChIKey of 2-[methyl(phenyldiazenyl)amino]acetate?
The InChIKey is GYQONHNWPASCRA-ZHACJKMWSA-M. The full InChI is InChI=1S/C9H11N3O2/c1-12(7-9(13)14)11-10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)/p-1/b11-10+.
What are the key properties of 2-[methyl(phenyldiazenyl)amino]acetate?
2-[methyl(phenyldiazenyl)amino]acetate has a molecular weight of 192.20 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(phenyldiazenyl)amino]acetate is sourced from PubChem (CID 23569711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).